TL;DR: Vitalethine (CAS 143129-01-5) is a chemical compound with molecular formula C12H22N4O6S2 and molecular weight 382.09808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[2-[2-[3-(carboxyamino)propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]carbamic acid
Also Known As: Vitalethine, Thiol N-(carboxy)-beta-alanylcysteamine, [3-[2-[2-[3-(carboxyamino)propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]carbamic acid, 9,10-Dithia-2,6,13,17-tetraazaoctadecanedioicacid, 5,14-dioxo-, 3,3'-(Dithiodi-2,1-ethanediylamino)bis(N-(3-oxopropyl)carbamic acid)
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H22N4O6S2 |
| Molecular Weight | 382.09808 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 382.09808 Da |
| Heavy Atoms | 24 |
| Complexity | 386.0 |
| SMILES | C(CNC(=O)O)C(=O)NCCSSCCNC(=O)CCNC(=O)O |
| InChIKey | NXURKZIMAQBJEU-UHFFFAOYSA-N |
The XLogP value of -1.8 indicates that Vitalethine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting Vitalethine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vitalethine has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Vitalethine is 143129-01-5.
The molecular formula of Vitalethine is C12H22N4O6S2.
The molecular weight of Vitalethine is 382.09808 g/mol.
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